7D9T
 
 | | Structure of human soluble guanylate cyclase in the cinciguat-bound inactive state | | Descriptor: | 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid, Guanylate cyclase soluble subunit alpha-1, Guanylate cyclase soluble subunit beta-1 | | Authors: | Chen, L, Liu, R, Kang, Y. | | Deposit date: | 2020-10-14 | | Release date: | 2021-08-11 | | Last modified: | 2021-10-13 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Activation mechanism of human soluble guanylate cyclase by stimulators and activators.
Nat Commun, 12, 2021
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7VSQ
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8XN7
 | | Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with compound 9f | | Descriptor: | 5-amino-2-((6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl)amino)-8-(2-(trifluoromethyl)benzyl)pyrido[2,3-d]pyrimidin-7(8H)-one, Mitogen-activated protein kinase kinase kinase kinase 1 | | Authors: | Huang, W.X, Liu, R, Ding, K. | | Deposit date: | 2023-12-29 | | Release date: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Discovery of 5-aminopyrido[2,3-d]pyrimidin-7(8H)-one derivatives as new hematopoietic progenitor kinase 1 (HPK1) inhibitors.
Eur.J.Med.Chem., 269, 2024
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8ILX
 | | mCherry-LaM3 complex | | Descriptor: | LAM3, MCherry fluorescent protein | | Authors: | Liang, H, Liu, R, Ding, Y. | | Deposit date: | 2023-03-05 | | Release date: | 2023-06-21 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies.
Int J Mol Sci, 24, 2023
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8IM0
 | | mCherry-LaM8 complex | | Descriptor: | LaM8, MCherry fluorescent protein | | Authors: | Liang, H, Liu, R, Ding, Y. | | Deposit date: | 2023-03-05 | | Release date: | 2023-06-21 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies.
Int J Mol Sci, 24, 2023
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8IM1
 | | mCherry-LaM1 complex | | Descriptor: | LaM1, MCherry fluorescent protein, SULFATE ION | | Authors: | Liang, H, Liu, R, Ding, Y. | | Deposit date: | 2023-03-05 | | Release date: | 2023-06-21 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Insights into the Binding of Red Fluorescent Protein mCherry-Specific Nanobodies.
Int J Mol Sci, 24, 2023
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4WOY
 | | Crystal structure and functional analysis of MiD49, a receptor for the mitochondrial fission protein Drp1 | | Descriptor: | Mitochondrial dynamics protein MID49 | | Authors: | Loson, O.C, Meng, S, Ngo, H.B, Liu, R, Kaiser, J.T, Chan, D.C. | | Deposit date: | 2014-10-17 | | Release date: | 2015-01-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure and functional analysis of MiD49, a receptor for the mitochondrial fission protein Drp1.
Protein Sci., 24, 2015
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7ARO
 | | Crystal structure of the non-ribose partial agonist LUF5833 bound to the adenosine A2A receptor | | Descriptor: | 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | | Authors: | Verdon, G, Amelia, T, van Veldhoven, J, Falsini, M, Liu, R, Heitman, L, van Westen, G, Segala, E, Cheng, R, Cooke, R, van der Es, D, Ijzerman, A. | | Deposit date: | 2020-10-25 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.119 Å) | | Cite: | Crystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A 2A Receptor.
J.Med.Chem., 64, 2021
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6JYV
 | | Structure of an isopenicillin N synthase from Pseudomonas aeruginosa PAO1 | | Descriptor: | Probable iron/ascorbate oxidoreductase, SODIUM ION | | Authors: | Hao, Z, Che, S, Wang, R, Liu, R, Zhang, Q, Bartlam, M. | | Deposit date: | 2019-04-28 | | Release date: | 2019-05-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.651 Å) | | Cite: | Structural characterization of an isopenicillin N synthase family oxygenase from Pseudomonas aeruginosa PAO1.
Biochem.Biophys.Res.Commun., 514, 2019
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2F9V
 | | HCV NS3 protease domain with NS4a peptide and a ketoamide inhibitor with P1 and P2 cyclopropylalannines | | Descriptor: | (2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID, NS3 protease/helicase, ZINC ION, ... | | Authors: | Bogen, S.L, Ruan, S, Liu, R, Agrawal, S, Pichardo, J, Prongay, A, Baroudy, B, Saksena, A, Girijavallabhan, V, Njoroge, F.G. | | Deposit date: | 2005-12-06 | | Release date: | 2007-01-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Depeptidization efforts on P3-P2 a-ketoamide inhibitors of HCV NS3-4A serine protease: Effect on HCV replicon activity.
Bioorg.Med.Chem.Lett., 16, 2006
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2R13
 | | Crystal structure of human mitoNEET reveals a novel [2Fe-2S] cluster coordination | | Descriptor: | CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, Zinc finger CDGSH domain-containing protein 1 | | Authors: | Hou, X, Liu, R, Ross, S, Smart, E.J, Zhu, H, Gong, W. | | Deposit date: | 2007-08-22 | | Release date: | 2007-09-11 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic studies of human MitoNEET
J.Biol.Chem., 282, 2007
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6JT2
 | | Structure of human soluble guanylate cyclase in the NO activated state | | Descriptor: | Guanylate cyclase soluble subunit alpha-1, Guanylate cyclase soluble subunit beta-1, MAGNESIUM ION, ... | | Authors: | Chen, L, Kang, Y, Liu, R, Wu, J.-X. | | Deposit date: | 2019-04-08 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural insights into the mechanism of human soluble guanylate cyclase.
Nature, 574, 2019
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4DE6
 | | Horse spleen apo-ferritin complex with arachidonic acid | | Descriptor: | ARACHIDONIC ACID, CADMIUM ION, Ferritin light chain, ... | | Authors: | Bu, W, Liu, R, Dmochowski, I.J, Loll, P.J, Eckenhoff, R.G. | | Deposit date: | 2012-01-19 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Ferritin couples iron and fatty acid metabolism.
Faseb J., 26, 2012
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6JT0
 | | Structure of human soluble guanylate cyclase in the unliganded state | | Descriptor: | Guanylate cyclase soluble subunit alpha-1, Guanylate cyclase soluble subunit beta-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Chen, L, Kang, Y, Liu, R, Wu, J.-X. | | Deposit date: | 2019-04-08 | | Release date: | 2019-08-28 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structural insights into the mechanism of human soluble guanylate cyclase.
Nature, 574, 2019
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6JT1
 | | Structure of human soluble guanylate cyclase in the heme oxidised state | | Descriptor: | Guanylate cyclase soluble subunit alpha-1, Guanylate cyclase soluble subunit beta-1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Chen, L, Kang, Y, Liu, R, Wu, J.-X. | | Deposit date: | 2019-04-08 | | Release date: | 2019-08-28 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural insights into the mechanism of human soluble guanylate cyclase.
Nature, 574, 2019
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3RD0
 | | Horse spleen apo-ferritin with bound thiopental | | Descriptor: | 5-ethyl-5-[(2R)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, CADMIUM ION, Ferritin light chain, ... | | Authors: | Oakley, S.H, Vedula, L.S, Xi, J, Liu, R, Eckenhoff, R.G, Loll, P.J. | | Deposit date: | 2011-03-31 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | High resolution view of barbiturate recognition by a protein binding site
to be published
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3RAV
 | | Horse spleen apo-ferritin with bound Pentobarbital | | Descriptor: | 5-ethyl-5-[(2S)-pentan-2-yl]pyrimidine-2,4,6(1H,3H,5H)-trione, CADMIUM ION, Ferritin light chain, ... | | Authors: | Oakley, S.H, Vedula, L.S, Xi, J, Liu, R, Eckenhoff, R.G, Loll, P.J. | | Deposit date: | 2011-03-28 | | Release date: | 2011-05-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High resolution view of barbiturate recognition by a protein binding site
to be published
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2LSP
 | | solution structures of BRD4 second bromodomain with NF-kB-K310ac peptide | | Descriptor: | Bromodomain-containing protein 4, NF-kB-K310ac peptide | | Authors: | Zhang, G, Liu, R, Zhong, Y, Plotnikov, A.N, Zhang, W, Rusinova, E, Gerona-Nevarro, G, Moshkina, N, Joshua, J, Chuang, P.Y, Ohlmeyer, M, He, J, Zhou, M.-M. | | Deposit date: | 2012-05-03 | | Release date: | 2012-07-18 | | Last modified: | 2023-11-15 | | Method: | SOLUTION NMR | | Cite: | Down-regulation of NF-kappa B transcriptional activity in HIV-associated kidney disease by BRD4 inhibition.
J.Biol.Chem., 287, 2012
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7VSI
 | | Structure of human SGLT2-MAP17 complex bound with empagliflozin | | Descriptor: | (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol, PALMITIC ACID, PDZK1-interacting protein 1, ... | | Authors: | Chen, L, Niu, Y, Liu, R. | | Deposit date: | 2021-10-26 | | Release date: | 2021-12-15 | | Last modified: | 2022-02-16 | | Method: | ELECTRON MICROSCOPY (2.95 Å) | | Cite: | Structural basis of inhibition of the human SGLT2-MAP17 glucose transporter.
Nature, 601, 2022
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7VSP
 | | Crystal strcuture of the tandem B-Box domains of COL2 | | Descriptor: | ZINC ION, Zinc finger protein CONSTANS-LIKE 2 | | Authors: | Lv, X, Liu, R, Du, J. | | Deposit date: | 2021-10-27 | | Release date: | 2022-03-02 | | Last modified: | 2022-03-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular basis of CONSTANS oligomerization in FLOWERING LOCUS T activation.
J Integr Plant Biol, 64, 2022
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7XQV
 | | The complex of nanobody Rh57 binding to GTP-bound RhoA active form | | Descriptor: | ALANINE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Zhang, Y.R, Liu, R, Ding, Y. | | Deposit date: | 2022-05-09 | | Release date: | 2022-07-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structural insights into the binding of nanobody Rh57 to active RhoA-GTP.
Biochem.Biophys.Res.Commun., 616, 2022
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5JVA
 | | 1.95 angstrom crystal structure of TAGRFP-T | | Descriptor: | BETA-MERCAPTOETHANOL, SULFATE ION, TagRFP-T | | Authors: | Hu, X.J. | | Deposit date: | 2016-05-11 | | Release date: | 2017-05-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The crystal structure of red fluorescent protein TagRFP-T reveals the mechanism of its superior photostability.
Biochem. Biophys. Res. Commun., 477, 2016
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5OEP
 | | Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA481 | | Descriptor: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | | Deposit date: | 2017-07-09 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5OEL
 | | Mycobacterium tuberculosis DprE1 mutant Y314C in complex with TCA1 | | Descriptor: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, ethyl ({2-[(1,3-benzothiazol-2-ylcarbonyl)amino]thiophen-3-yl}carbonyl)carbamate | | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | | Deposit date: | 2017-07-08 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5OEQ
 | | Mycobacterium tuberculosis DprE1 in complex with inhibitor TCA020 | | Descriptor: | Decaprenylphosphoryl-beta-D-ribose oxidase, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ... | | Authors: | Futterer, K, Batt, S.M, Besra, G.S. | | Deposit date: | 2017-07-09 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
Angew. Chem. Int. Ed. Engl., 56, 2017
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